Geometry & MOs

Info

ID:	331770
PubChem CID:	127250054
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	425.161853
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	3.42
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations